1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C23H34N8O2 — CID 11568712

IUPAC1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCOCCn1nc(CC)c2nc(NCCN3CCOCC3)nc(Nc3cccc(C)n3)c21
InChIInChI=1S/C23H34N8O2/c1-4-18-20-21(31(29-18)13-16-32-5-2)22(26-19-8-6-7-17(3)25-19)28-23(27-20)24-9-10-30-11-14-33-15-12-30/h6-8H,4-5,9-16H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyINXAFIHEAUEMHU-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.62
Rot. Bonds11

About 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 11568712) has the molecular formula C23H34N8O2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID11568712
Molecular FormulaC23H34N8O2
Molecular Weight454.58 g/mol
Exact Mass454.28
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCOCCn1nc(CC)c2nc(NCCN3CCOCC3)nc(Nc3cccc(C)n3)c21
InChIInChI=1S/C23H34N8O2/c1-4-18-20-21(31(29-18)13-16-32-5-2)22(26-19-8-6-7-17(3)25-19)28-23(27-20)24-9-10-30-11-14-33-15-12-30/h6-8H,4-5,9-16H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyINXAFIHEAUEMHU-UHFFFAOYSA-N
XLogP2.62
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 11568712) is 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is CCOCCn1nc(CC)c2nc(NCCN3CCOCC3)nc(Nc3cccc(C)n3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is INXAFIHEAUEMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O2/c1-4-18-20-21(31(29-18)13-16-32-5-2)22(26-19-8-6-7-17(3)25-19)28-23(27-20)24-9-10-30-11-14-33-15-12-30/h6-8H,4-5,9-16H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 454.58 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-7-N-(6-methyl-2-pyridinyl)-5-N-(2-morpholin-4-ylethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 11568712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).